Aniline

Aniline

SCHEMBL1444501

Nc1ccccc1.O=C(C#Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 1/20 0.61
NLRP3 Q96P20 1/20 0.61
GFER P55789 1/20 0.61
VCP P55072 2/20 0.49
MAPT P10636 3/20 0.46
PTPN11 Q06124 1/20 0.44
HDAC1 Q13547 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1250 0.91 NPC1 (0.71) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL9261114 0.80 MEN1 (0.57) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL9263110 0.80 NPC1 (0.70) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL9260209 0.80 NPC1 (0.57) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL28302925 0.80 MEN1 (0.66) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL30056471 0.80 RAB9A (0.61) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL30056033 0.76 RAB9A (0.89) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL28301495 0.76 RAB9A (1.00) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL3599507 0.75 GFER (0.60) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4104247 0.75 MEN1 (0.58) RAB9ANPC1MEN1KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011032320-A1 NOVEL ALKENE OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed